methyl 3-[2-(4-aminocarbonyl-4-piperidin-1-ium-1-yl-piperidin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-(4-aminocarbonyl-4-piperidin-1-ium-1-yl-piperidin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-carbamoyl-4-piperidin-1-ium-1-yl-piperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-carbamoyl-4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamoyl-4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-carbamoyl-4-piperidin-1-ium-1-yl-piperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C23H33N5O4+2 MolecularWeight: 443.53922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C[NH+]3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C[NH+]3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

InChI

InChI=1S/C23H31N5O4/c1-32-21(30)20-19(16-7-3-4-8-17(16)25-20)26-18(29)15-27-13-9-23(10-14-27,22(24)31)28-11-5-2-6-12-28/h3-4,7-8,25H,2,5-6,9-15H2,1H3,(H2,24,31)(H,26,29)/p+2